14-phenyl-9-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-phenyl-9-(7-phenylquinoxalin-6-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12-quinoxalin-6-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C130H81N11 — CID 159613181

About 14-phenyl-9-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-phenyl-9-(7-phenylquinoxalin-6-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12-quinoxalin-6-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

14-phenyl-9-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-phenyl-9-(7-phenylquinoxalin-6-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12-quinoxalin-6-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 159613181) has the molecular formula C130H81N11 and a molecular weight of 1797.15 g/mol. Its IUPAC name is 14-phenyl-9-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-phenyl-9-(7-phenylquinoxalin-6-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12-quinoxalin-6-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-phenyl-9-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-phenyl-9-(7-phenylquinoxalin-6-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12-quinoxalin-6-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 159613181
• Molecular Formula: C130H81N11
• Molecular Weight: 1797.15 g/mol
• Exact Mass: 1795.67
• IUPAC Name: 14-phenyl-9-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-phenyl-9-(7-phenylquinoxalin-6-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12-quinoxalin-6-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: c1ccc(-c2cc3nccnc3cc2-n2c3ccccc3c3c4c5ccc6ccccc6c5n(-c5ccccc5)c4ccc32)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)c4cc(-n5c6ccccc6c6c7c8ccc9ccccc9c8n(-c8ccccc8)c7ccc65)ccc4n3)cc2)cc1.c1ccc2c(c1)ccc1c2c2ccc3ccccc3c2n1-c1ccc2nccnc2c1
• InChI: InChI=1S/C60H38N4.C42H26N4.C28H17N3/c1-4-15-39(16-5-1)41-27-29-43(30-28-41)60-61-52-34-32-47(38-51(52)58(62-60)45-21-14-20-44(37-45)40-17-6-2-7-18-40)63-53-26-13-12-25-49(53)56-54(63)35-36-55-57(56)50-33-31-42-19-10-11-24-48(42)59(50)64(55)46-22-8-3-9-23-46;1-3-11-27(12-4-1)33-25-34-35(44-24-23-43-34)26-39(33)46-36-18-10-9-17-31(36)40-38(46)22-21-37-41(40)32-20-19-28-13-7-8-16-30(28)42(32)45(37)29-14-5-2-6-15-29;1-3-7-21-18(5-1)10-14-26-27(21)23-12-9-19-6-2-4-8-22(19)28(23)31(26)20-11-13-24-25(17-20)30-16-15-29-24/h1-38H;1-26H;1-17H
• InChIKey: MMYQEYXTWJLCNU-UHFFFAOYSA-N
• XLogP: 33.32
• TPSA: 101.99 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1797.15
LogP ≤ 5	33.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-9-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-phenyl-9-(7-phenylquinoxalin-6-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12-quinoxalin-6-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 14-phenyl-9-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-phenyl-9-(7-phenylquinoxalin-6-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12-quinoxalin-6-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 159613181) is 14-phenyl-9-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-phenyl-9-(7-phenylquinoxalin-6-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12-quinoxalin-6-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 14-phenyl-9-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-phenyl-9-(7-phenylquinoxalin-6-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12-quinoxalin-6-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 14-phenyl-9-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-phenyl-9-(7-phenylquinoxalin-6-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12-quinoxalin-6-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1ccc(-c2cc3nccnc3cc2-n2c3ccccc3c3c4c5ccc6ccccc6c5n(-c5ccccc5)c4ccc32)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)c4cc(-n5c6ccccc6c6c7c8ccc9ccccc9c8n(-c8ccccc8)c7ccc65)ccc4n3)cc2)cc1.c1ccc2c(c1)ccc1c2c2ccc3ccccc3c2n1-c1ccc2nccnc2c1.

What is the InChIKey of 14-phenyl-9-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-phenyl-9-(7-phenylquinoxalin-6-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12-quinoxalin-6-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is MMYQEYXTWJLCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4.C42H26N4.C28H17N3/c1-4-15-39(16-5-1)41-27-29-43(30-28-41)60-61-52-34-32-47(38-51(52)58(62-60)45-21-14-20-44(37-45)40-17-6-2-7-18-40)63-53-26-13-12-25-49(53)56-54(63)35-36-55-57(56)50-33-31-42-19-10-11-24-48(42)59(50)64(55)46-22-8-3-9-23-46;1-3-11-27(12-4-1)33-25-34-35(44-24-23-43-34)26-39(33)46-36-18-10-9-17-31(36)40-38(46)22-21-37-41(40)32-20-19-28-13-7-8-16-30(28)42(32)45(37)29-14-5-2-6-15-29;1-3-7-21-18(5-1)10-14-26-27(21)23-12-9-19-6-2-4-8-22(19)28(23)31(26)20-11-13-24-25(17-20)30-16-15-29-24/h1-38H;1-26H;1-17H.

What are the key properties of 14-phenyl-9-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-phenyl-9-(7-phenylquinoxalin-6-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12-quinoxalin-6-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

14-phenyl-9-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-phenyl-9-(7-phenylquinoxalin-6-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12-quinoxalin-6-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 1797.15 g/mol, XLogP of 33.32, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 14-phenyl-9-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-phenyl-9-(7-phenylquinoxalin-6-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12-quinoxalin-6-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 159613181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).